SCHEMBL14501302

SCHEMBL14501302

CC(C)COC(=O)OC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS1 P23219 1/20 0.37
APEX1 P27695 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA2 P00918 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9196237 0.81 HPGD (0.57) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL23773682 0.80 ALDH1A1 (0.44) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL6164008 0.76 HPGD (0.62) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL10795656 0.75 ALDH1A1 (0.57) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL14501327 0.71 KMT2A (0.47) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL25440299 0.70 KMT2A (0.76) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL25440183 0.69 MAPT (0.78) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL25440072 0.69 KMT2A (1.00) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL20324682 0.69 ALDH1A1 (0.50) KMT2AMAPTHPGDALDH1A1LMNA
SCHEMBL10795663 0.68 TSHR (0.54) KMT2AMAPTHPGDALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223795-B2 Modified peptide derivatives and methods of use thereof CYCLACEL LIMITED (GB) 2007-05-29 US disclosed
US-7223795-B2 Modified peptide derivatives and methods of use thereof CYCLACEL LIMITED (GB) 2007-05-29 US disclosed